Chemical ID: 4180051

CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(C)(C)C
Chemical ID:
4180051
Name [?]:
N-(2-nitro-4-tert-butyl-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(C)(C)C
InChi [?]:
InChI=1/C12H16N2O3/c1-8(15)13-10-6-5-9(12(2,3)4)7-11(10)14(16)17/h5-7H,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,15,16,17,7,6,9,2,8,5,10,14,4,11,3,12,13/E:(2,3,4)(16,17)/CRV:14.5/rA:17nCCONCCCCCCN+OO-CCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s8;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:4.62074
Area:416.647
Solvation:-5.79542
Coulombic:-34.0906
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.267
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):2.95

Name Annotations

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Descriptor Annotations

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